Detailed information for compound 116929

Basic information

Technical information
  • TDR Targets ID: 116929
  • Name: 1,2,3,4-tetrahydroquinoline
  • MW: 133.19 | Formula: C9H11N
  • H donors: 1 H acceptors: 0 LogP: 2.3 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CCc2c(N1)cccc2
  • InChi: 1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6,10H,3,5,7H2
  • InChiKey: LBUJPTNKIBCYBY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • quinoline
  • 86433-95-6
  • 165057-15-8
  • 635-46-1
  • Kusol
  • NSC15311
  • Quinoline, 1,2,3,4-tetrahydro-
  • W516007_ALDRICH
  • T15504_ALDRICH
  • 87350_FLUKA
  • ST5213755
  • InChI=1/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6,10H,3,5,7H
  • AI3-10034
  • EINECS 211-237-6
  • NSC 15311

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0051 0.0232 0.0115
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0218 0.2778 0.2691
Echinococcus multilocularis GPCR, family 2 0.0219 0.2793 0.62
Plasmodium falciparum ataxin-2 like protein, putative 0.008 0.0668 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0693 1 1
Echinococcus granulosus tar DNA binding protein 0.0218 0.2778 0.6166
Brugia malayi TAR-binding protein 0.0218 0.2778 0.2691
Trypanosoma cruzi PAB1-binding protein , putative 0.008 0.0668 1
Brugia malayi hypothetical protein 0.0051 0.0239 0.0122
Schistosoma mansoni hypothetical protein 0.0219 0.2793 0.4191
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0043 0.0118 0.0262
Schistosoma mansoni tar DNA-binding protein 0.0218 0.2778 0.4168
Brugia malayi Latrophilin receptor protein 2 0.0219 0.2793 0.2707
Echinococcus granulosus Smad4 0.0043 0.0118 0.0262
Trypanosoma cruzi DNA polymerase eta, putative 0.0051 0.0232 0.3457
Echinococcus multilocularis mothers against decapentaplegic 5 0.0043 0.0118 0.0262
Brugia malayi hypothetical protein 0.008 0.0668 0.0556
Loa Loa (eye worm) latrophilin receptor protein 2 0.0219 0.2793 0.2707
Brugia malayi latrophilin 2 splice variant baaae 0.0474 0.6664 0.6624
Echinococcus multilocularis tar DNA binding protein 0.0218 0.2778 0.6166
Brugia malayi RNA binding protein 0.0218 0.2778 0.2691
Loa Loa (eye worm) MH2 domain-containing protein 0.0638 0.916 0.915
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0332 0.4505 0.4439
Schistosoma mansoni hypothetical protein 0.0219 0.2793 0.4191
Echinococcus multilocularis smad 0.0043 0.0118 0.0262
Schistosoma mansoni tar DNA-binding protein 0.0218 0.2778 0.4168
Schistosoma mansoni smad 0.0043 0.0118 0.0177
Brugia malayi RNA recognition motif domain containing protein 0.0218 0.2778 0.2691
Echinococcus granulosus TGF beta signal transducer SmadC 0.0043 0.0118 0.0262
Schistosoma mansoni Smad4 0.0043 0.0118 0.0177
Loa Loa (eye worm) hypothetical protein 0.0693 1 1
Schistosoma mansoni hypothetical protein 0.0474 0.6664 1
Echinococcus granulosus smad 0.0043 0.0118 0.0262
Schistosoma mansoni smad1 5 8 and 0.0043 0.0118 0.0177
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0043 0.0118 0.0177
Echinococcus multilocularis dna polymerase eta 0.0051 0.0232 0.0515
Schistosoma mansoni smad1 5 8 and 0.0043 0.0118 0.0177
Brugia malayi ImpB/MucB/SamB family protein 0.0051 0.0232 0.0115
Loa Loa (eye worm) RNA binding protein 0.0218 0.2778 0.2691
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0332 0.4505 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0332 0.4505 1
Schistosoma mansoni tar DNA-binding protein 0.0218 0.2778 0.4168
Schistosoma mansoni hypothetical protein 0.0219 0.2793 0.4191
Plasmodium vivax ataxin-2 like protein, putative 0.008 0.0668 0.5
Schistosoma mansoni hypothetical protein 0.0219 0.2793 0.4191
Schistosoma mansoni DNA polymerase eta 0.0051 0.0232 0.0348
Leishmania major DNA polymerase eta, putative 0.0051 0.0232 0.3457
Plasmodium falciparum ataxin-2 like protein, putative 0.008 0.0668 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0219 0.2793 0.62
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0219 0.2793 0.62
Schistosoma mansoni tar DNA-binding protein 0.0218 0.2778 0.4168
Schistosoma mansoni tar DNA-binding protein 0.0218 0.2778 0.4168
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0332 0.4505 0.676
Loa Loa (eye worm) TAR-binding protein 0.0218 0.2778 0.2691
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0332 0.4505 0.676
Brugia malayi MH2 domain containing protein 0.0638 0.916 0.915
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0219 0.2793 0.2707
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0332 0.4505 0.4439
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0332 0.4505 1
Echinococcus multilocularis Smad4 0.0043 0.0118 0.0262
Toxoplasma gondii LsmAD domain-containing protein 0.008 0.0668 1
Leishmania major hypothetical protein, conserved 0.008 0.0668 1
Trypanosoma cruzi PAB1-binding protein , putative 0.008 0.0668 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0043 0.0118 0.0262
Loa Loa (eye worm) transcription factor SMAD2 0.0638 0.916 0.915
Loa Loa (eye worm) hypothetical protein 0.008 0.0668 0.0556
Echinococcus granulosus dna polymerase eta 0.0051 0.0232 0.0515
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0693 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0332 0.4505 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0332 0.4505 0.676
Loa Loa (eye worm) hypothetical protein 0.0219 0.2793 0.2707
Loa Loa (eye worm) hypothetical protein 0.0474 0.6664 0.6624
Schistosoma mansoni smad1 5 8 and 0.0043 0.0118 0.0177
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0219 0.2793 0.62
Trypanosoma brucei PAB1-binding protein , putative 0.008 0.0668 1
Echinococcus granulosus GPCR family 2 0.0219 0.2793 0.62
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0219 0.2793 0.62

Activities

Activity type Activity value Assay description Source Reference
DA release (functional) = 1.2 % The maximum dopamine release induced by perfusion with the test compound with basal striatal DA (%of basal x10E-3) ChEMBL. 2374149
DA release (functional) = 1.2 % The maximum dopamine release induced by perfusion with the test compound with basal striatal DA (%of basal x10E-3) ChEMBL. 2374149
DA release (functional) = 22 % The maximal DA release induced by perfusion with 10 mM MPP+ (15 min) 1 day after perfusion with the test compound with basal striatal DA (%of basal x10E-3) ChEMBL. 2374149
DA release (functional) = 22 % The maximal DA release induced by perfusion with 10 mM MPP+ (15 min) 1 day after perfusion with the test compound with basal striatal DA (%of basal x10E-3) ChEMBL. 2374149
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

10 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.